SCHEMBL2748073

SCHEMBL2748073

CCc1cc(C(=O)NNC(=O)c2sc(C)c3c2CC2C3C2(C)C)cc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.52
CACNA1H O95180 7/20 0.52
CACNA1I Q9P0X4 7/20 0.52
S1PR1 P21453 13/20 0.49
S1PR3 Q99500 4/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2747738 0.80 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL11893344 0.80 S1PR1 (0.47) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2747481 0.80 S1PR1 (0.47) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2747366 0.79 S1PR1 (0.40) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2748020 0.75 CACNA1G (0.65) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL1425350 0.74 RAB9A (0.40)
SCHEMBL2747677 0.72 S1PR1 (0.42) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2747674 0.72 S1PR1 (0.63) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL12332775 0.72 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2747214 0.71 S1PR1 (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US disclosed
US-8178562-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2012-05-15 US disclosed
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP disclosed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005421-A1 Novel Pyridine Derivatives NFATC1, TPMT, CD47 CACNA1G 3195/4885CACNA1H 3220/4885CACNA1I 3050/4885
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES NFATC1, TPMT, CD47 CACNA1G 3195/4885CACNA1H 3220/4885CACNA1I 3050/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.